1-(2-Thienyl)-1-octyne
TL;DR: 1-(2-Thienyl)-1-octyne (CAS 90215-01-3) is a chemical compound with molecular formula C44H82O21S and molecular weight 978.51 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[6-[6-[4,5-dihydroxy-2-(hydroxymethyl)-6-(2-octadecylsulfanylethoxy)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: 1-(2-Thienyl)-1-octyne, 2-[[6-[6-[4,5-dihydroxy-2-(hydroxymethyl)-6-(2-octadecylsulfanylethoxy)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol, Octadecylthioethyl 6-a-D-glucopyranosyl maltotrioside, A-D-Glc-(1 inverted exclamation marku6)-, A-D-Glc-(1 inverted exclamation marku4)-
| Molecular Formula | C44H82O21S |
|---|---|
| Molecular Weight | 978.51 g/mol |
| LogP | -1.7298 |
| Topological Polar Surface Area | 336.83 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 31 |
| Exact Mass | 978.50696 |
| Heavy Atoms | 66 |
| Complexity | 1260.8118 |
Chemical Identifiers
| CAS Number | 90215-01-3 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCSCCOC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)O)O)O)O)O)O)O)O |
Product Overview
1-(2-Thienyl)-1-octyne (CAS 90215-01-3), with molecular formula C44H82O21S and molecular weight 978.51 g/mol. IUPAC: 2-[[6-[6-[4,5-dihydroxy-2-(hydroxymethyl)-6-(2-octadecylsulfanylethoxy)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.
Chemical Property Profile of 1-(2-Thienyl)-1-octyne
Property Insights of 1-(2-Thienyl)-1-octyne
The XLogP value of -1.7298 indicates that 1-(2-Thienyl)-1-octyne is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 336.83 Ų indicates high polarity, suggesting 1-(2-Thienyl)-1-octyne may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-(2-Thienyl)-1-octyne has 13 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(2-Thienyl)-1-octyne?
The CAS number of 1-(2-Thienyl)-1-octyne is 90215-01-3.
What is the molecular formula of 1-(2-Thienyl)-1-octyne?
The molecular formula of 1-(2-Thienyl)-1-octyne is C44H82O21S.
What is the molecular weight of 1-(2-Thienyl)-1-octyne?
The molecular weight of 1-(2-Thienyl)-1-octyne is 978.51 g/mol.
Where can I buy 1-(2-Thienyl)-1-octyne?
You can request a quote for 1-(2-Thienyl)-1-octyne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Thienyl)-1-octyne?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Thienyl)-1-octyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.